Version2.2 2021-02-19T15:56:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)NC1(CCCCC1)C#N)S[C@@H]2NN=C(N2C3CC3)C4=c5ccccc5=[NH+]C4 C39947175 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)NC1(CCCCC1)C#N)S[C@@H]2NN=C(N2C3CC3)C4=c5ccccc5=[NH+]C4 C01[X(C23H29N6O1S1)] 174 C1 527 N#CC1(CCCCC1)NC(=O)[C@H](S[C@@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1)C N#CC1(CCCCC1)NC(=O)[C@H](S[C@@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1)C C[C@@H](S[C@@H]1NN=C(N1C2CC2)C3=C4C=CC=CC4=[NH+]C3)C(=O)NC5(CCCCC5)C#N InChIKey=ZXOZXJBWRYYTDV-IVZQSRNASA-O InChI=1S/C23H28N6OS/c1-15(21(30)26-23(14-24)11-5-2-6-12-23)31-22-28-27-20(29(22)16-9-10-16)18-13-25-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,22,28H,2,5-6,9-13H2,1H3,(H,26,30)/p+1/t15-,22-/m1/s1 InChI=1/C23H28N6OS/c1-15(21(30)26-23(14-24)11-5-2-6-12-23)31-22-28-27-20(29(22)16-9-10-16)18-13-25-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,22,28H,2,5-6,9-13H2,1H3,(H,26,30)/p+1/t15-,22-/m1/s1/fC23H29N6OS/h25-26H/q+1 C[C@H](C(=O)NC1(CCCCC1)C#N)S[C@@H]2NN=C(N2C3CC3)C4=c5ccccc5=[NH+]C4 C01[X(C23H29N6O1S1)] 174 C01 527 N#CC1(CCCCC1)NC(=O)[C@H](S[C@@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1)C N#CC1(CCCCC1)NC(=O)[C@H](S[C@@H]1NN=C(N1C1CC1)C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)C C[C@@H](S[C@@H]1NN=C(N1C2CC2)C3=C4C=CC=C[C]4NC3)C(=O)NC5(CCCCC5)C#N InChIKey=GSZUIXJIXLSMJA-IVZQSRNASA-N InChI=1S/C23H29N6OS/c1-15(21(30)26-23(14-24)11-5-2-6-12-23)31-22-28-27-20(29(22)16-9-10-16)18-13-25-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,22,25,28H,2,5-6,9-13H2,1H3,(H,26,30)/t15-,22-/m1/s1 InChI=1/C23H29N6OS/c1-15(21(30)26-23(14-24)11-5-2-6-12-23)31-22-28-27-20(29(22)16-9-10-16)18-13-25-19-8-4-3-7-17(18)19/h3-4,7-8,15-16,22,25,28H,2,5-6,9-13H2,1H3,(H,26,30)/t15-,22-/m1/s1/f/h26H 3412.2239301317 -1686.6678616 1-A 13837.1764 116 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4.2049 5.1482 3.9416 1.3464 1.1626 1.6714 3.2159 2.7516 1.4173 1.5900 1.5321 4.6060 3.7408 3.0447 6.4573 2.3640 5.3485 1.5093 2.2204 2.0885 3.0384 2.5456 1.9796 2.2585 3.0320 1.9335 1.3042 2.8247 1.3876 1.7464 2.7457 1.8369 2.2935 1.3639 1.6882 1.8866 3.0140 1.3644 2.6214 2.7841 1.4410 1.5149 1.2330 1.4965 2.4200 2.3503 1.3665 1.1615 1.5478 1.7143 1.5778 1.5405 1.3275 1.9093 1.2862 1.5994 1.6345 2.1547 1.3794 1.2526 1.3550 1.7269 1.4177 2.2286 1.4665 1.4912 1.6019 2.2578 1.7016 1.2097 1.3782 1.4659 1.6476 1.0932 2.4289 1.0819 1.0773 1.0617 1.0449 1.0995 1.3766 2.0912 1.1005 1.3870 1.7893 6.4411 4.3077 6.7999 7.4311 8.7645 12.7149 1.0716 1.0655 1.0631 1.0671 1.0361 1.0704 1.1025 1.0933 1.0993 1.0623 1.1050 1.1020 1.0901 1.0953 1.0969 1.0973 1.0546 1.1016 1.0590 1.0913 1.0906 1.1203 1.0940 1.0965 1.1174 1.0973 1.0796 1.0788 1.0817 0.0008 0.0025 0.0030 0.0046 0.0070 0.0137 0.0146 0.0189 0.0171 0.0332 0.0236 0.0561 0.0632 0.0643 0.0597 0.0741 0.0864 0.1048 0.0814 0.1479 0.1614 0.0464 0.1316 0.1075 0.1740 0.2204 0.2245 0.2609 0.2533 0.4472 0.3577 0.3580 0.3312 0.4335 0.5606 0.4233 0.2988 0.4514 0.3437 0.3554 0.3417 0.8727 0.3492 0.5839 0.5119 0.7859 0.6007 1.2689 1.3783 0.7213 1.0568 1.8984 1.5316 1.8542 1.6003 2.0289 1.6156 0.5865 0.5085 0.7401 1.4334 1.2768 0.7048 0.8212 0.8172 2.4664 2.0261 1.6539 3.6684 1.4032 3.2331 0.9561 1.4200 1.3393 1.9744 1.6793 1.3326 1.5855 2.2364 1.4352 0.9787 2.1715 1.0895 1.3907 2.1951 1.5024 1.8946 1.1515 1.4338 1.6219 2.6843 1.2302 2.3834 2.5400 1.3617 1.4442 1.1804 1.4782 2.4285 2.3638 1.4071 1.2080 1.6283 1.8330 1.8033 1.7840 1.5531 2.2437 1.5204 1.9181 1.9902 2.6373 1.7032 1.6232 1.7611 2.3033 1.9078 3.0592 2.0298 2.0653 2.2289 3.1563 2.3929 1.7551 2.0103 2.1699 2.4584 1.6660 3.7363 1.7002 1.6981 1.6739 1.6534 1.7457 2.2012 3.3453 1.7878 2.2617 3.0829 11.4486 7.9403 13.3959 15.0449 19.1741 50.5666 6.4582 6.4634 6.4529 6.5041 6.3405 6.5678 6.8761 6.8333 6.8766 6.6486 6.9447 7.0191 6.9605 7.0522 7.0836 7.1033 6.8335 7.1618 6.9206 7.2680 7.3767 7.6229 7.4764 7.5191 7.6885 7.6551 9.4832 9.5090 9.5712 1.1984 1.2437 1.1931 3.6183 2.2430 0.8665 0.6465 0.4202 1.2026 0.7517 0.3401 9.1899 5.4228 6.1780 1.9307 4.0578 1.8481 2.1712 14.4956 4.4869 3.1385 1.0331 15.8750 3.3868 3.4191 4.3189 35.6864 5.6332 6.6343 3.3257 15.9613 15.7956 0.8267 10.8598 24.6647 18.1462 44.1997 82.6262 25.8150 16.8097 52.4666 31.7653 6.1804 36.6729 67.8133 2.9276 211.2900 0.3866 49.6257 42.1224 3.5767 5.7448 28.7259 27.9928 59.4487 68.2901 6.9021 72.2714 17.4557 0.3060 5.5460 0.8958 11.7091 1.4938 4.9275 2.2577 31.9233 4.9513 27.4300 13.5378 17.3187 2.3594 21.9624 6.7916 13.1021 20.6606 6.5379 5.0934 43.5430 0.1800 0.3138 42.0377 1.7874 2.2634 2.5362 6.0452 32.4311 2.8225 4.3277 12.8908 93.1270 4.0384 25.3848 39.0453 45.0738 1.0315 53.7361 80.2824 10.4008 7.4534 0.3560 6.9882 12.4675 0.9570 59.3528 42.5870 11.9166 149.8422 39.9196 80.0180 28.7985 104.1506 30.4814 48.7521 0.7620 62.9466 1.1537 69.8852 1.7867 0.3807 2.3463 130.7249 109.3755 2.1431 35.4210 144.8614 29.3225 1.2306 18.6856 0.3371 3.6794 5.0353 7.5534 4.3388 160.2174 232.7092 2.5693 8.2129 412.9988 10.3206 116.6695 489.7145 125.5693 275.9152 18.5451 21.8674 30.9594 2.7036 13.8076 17.9244 17.7042 34.4752 43.6485 40.7751 70.3739 63.4868 11.6122 9.6629 8.1229 10.2075 14.3047 11.0789 15.0202 4.9545 5.6878 3.2220 2.4301 2.0247 1.5748 10.8305 3.0724 90.0717 46.2595 202.8428 2.4070 4.7063 0.7634 0.5303 0.6503 0.4818 4.0101 0.5782 1.0709 4.6730 0.5548 1.1253 1.1651 3.0672 4.9201 1.1764 1.4559 5.1406 3.4583 4.4184 0.8989 0.5715 1.1512 0.2967 2.3753 1.8134 3.7562 1.1827 0.5654 0.8409 4.4711 1.9550 2.4737 11.0698 14.2408 0.9456 2.0761 21.9362 5.4725 3.5076 1.9464 5.5889 3.7870 39.8711 30.3672 4.2574 175.9821 0.6993 7.3534 23.7375 9.0665 22.5295 19.5098 5.4133 28.1421 6.5332 6.1230 7.6775 3.0375 1.8350 1.3941 13.9838 4.5817 0.5212 1.3606 4.9790 34.3868 10.5024 13.2150 1.8138 7.5913 1.1858 23.3042 2.7140 19.2793 23.1865 2.5675 4.0535 48.5272 10.8715 4.5678 7.3995 3.2803 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21683.3268 0.99994 0.01039 0.00345 -0.01040 0.99994 0.00176 -0.00344 -0.00180 0.99999 1 0.00964 0.00472 0.00399 0.20086 0.09839 0.08323 23.82 41.92 48.94 56.98 67.28 97.60 103.79 129.05 137.17 143.58 149.18 178.40 200.61 209.52 218.05 238.93 257.59 293.33 311.26 334.31 359.44 366.95 391.53 406.31 426.80 453.97 465.75 487.49 534.76 556.54 595.36 605.74 625.50 650.47 669.93 688.37 704.20 710.85 736.76 771.16 800.10 806.38 821.36 856.73 866.91 875.92 906.69 934.81 962.22 1000.24 1010.09 1074.07 1088.11 1145.55 1156.35 1176.72 1200.05 1237.18 1239.69 1247.29 1251.41 1276.84 1321.80 1347.07 1369.00 1371.65 1379.50 1381.52 1412.81 1444.11 1457.35 1491.86 1498.98 1501.02 1510.97 1522.45 1537.91 1570.48 1609.85 1614.91 1623.73 1643.46 1660.90 1672.71 1675.99 1695.17 1703.63 1722.26 1727.44 1737.95 1768.91 1779.80 1787.34 1790.38 1822.10 1830.14 1833.99 1862.94 1877.72 1879.83 1902.08 1911.52 1922.55 1938.23 2003.94 2017.13 2027.47 2031.96 2037.95 2052.70 2068.34 2073.76 2082.84 2133.78 2136.95 2164.76 2174.47 2196.12 2205.19 2205.92 2211.04 2216.25 2222.79 2257.79 2263.88 2280.56 2289.65 2314.03 2324.80 2349.74 2353.38 2353.63 2357.81 2361.87 2370.22 2370.75 2389.17 2393.60 2460.41 2499.00 2544.86 2630.89 2667.08 2772.44 3738.04 4601.59 4616.49 4618.01 4627.63 4636.88 4643.03 4681.20 4686.15 4688.14 4689.33 4699.04 4730.73 4736.44 4756.19 4763.35 4769.18 4771.33 4779.39 4791.67 4837.35 4874.91 4889.49 4900.20 4908.37 4916.84 4950.95 5555.38 5564.91 5575.67 0.540519 0.567911 0.568855 0.481126 -1686.127343 -1686.099951 -1686.099007 -1686.186736 2.942445D-04 MUNgauss RevisionA2.1 retrievium 19-Feb-2021 DUDE C[C@H](C(=O)NC1(CCCCC1)C#N)S[C@@H]2NN=C(N2C3CC3)C4=c5ccccc5=[NH+]C4 C39947175 RHF 6-31G(d) (6D,10F) C1 437.212357 |X|Y|Z| 58.994383 41.902407 92.741546 61.203274 27 6 7 16 21 5 1 |36.858105| |12.398767|36.858105| |8.882031|17.643200|0.500000| |7.555405|12.481048|0.253305|36.858105| |5.644293|8.022232|0.218448|15.808330|73.516695| |6.239303|7.770501|0.160304|14.104097|15.081100|53.358707| |4.332048|4.952580|0.115643|7.648013|11.905383|17.779553|36.858105| |3.676301|3.944967|0.092497|5.105108|7.841965|10.693261|12.340902|36.858105| |2.887733|3.045545|0.074724|3.794265|6.303153|6.811828|7.440317|12.443896|36.858105| |2.792755|2.859265|0.071426|3.557020|6.137739|6.032256|6.367420|7.529785|12.449171|36.858105| |3.041039|3.171813|0.080381|4.149676|7.576420|6.745248|7.455435|6.458050|7.545693|12.451407|36.858105| |4.009025|4.230068|0.103910|6.081981|10.828171|10.422706|12.345098|7.538433|6.440741|7.517466|12.436600|36.858105| |3.573177|4.331503|0.107623|6.400978|11.541374|10.806550|12.751444|7.725660|6.268806|5.239971|6.244375|7.658689|36.858105| |3.076225|3.749826|0.097137|5.110892|9.750775|7.646292|7.244755|5.540052|5.054538|4.320087|5.010335|5.472563|16.774589|53.358707| |6.938665|10.425612|0.220295|6.766653|8.997948|8.076604|4.160411|3.689447|2.860001|2.565948|2.703240|3.368607|3.847983|4.722688|388.023441| |4.526288|6.566841|0.185480|5.302116|8.279593|6.082101|3.515603|3.080410|2.520996|2.272520|2.426228|2.910937|3.606281|4.754212|73.258603|36.858105| |3.840648|5.035424|0.137052|4.252437|6.680622|5.247704|3.148085|2.882754|2.389942|2.131045|2.227544|2.609062|3.235561|4.316225|58.421281|17.642393|0.500000| |4.220696|5.719576|0.188196|4.501272|7.548687|4.988544|2.979390|2.595023|2.187793|2.029787|2.193808|2.604335|3.045210|4.059601|48.565843|13.190440|0.252386|53.358707| |3.882995|5.279489|0.185954|4.581862|8.403507|4.903148|3.017680|2.552207|2.186560|2.057490|2.274289|2.694062|3.181703|4.331169|37.153021|8.243913|0.168739|18.954965|53.358707| |3.734939|5.258490|0.171021|5.110172|9.666289|5.493101|3.435842|2.847998|2.431706|2.256790|2.512800|2.979458|3.812886|5.338702|37.111394|8.414991|0.171670|12.262405|20.499102|36.858105| |3.946852|5.739232|0.165342|5.589893|9.486228|6.347263|3.852320|3.254952|2.698745|2.421907|2.635093|3.143311|4.283656|5.919089|48.082176|13.223019|0.252600|11.717177|11.706178|13.766384|53.358707| |3.293056|4.418396|0.119654|4.707464|8.021136|5.986242|3.915073|3.436378|2.893675|2.516536|2.684020|3.097806|4.655312|6.831146|37.284934|7.541083|0.196372|7.316203|7.282156|7.526455|18.079939|36.858105| |2.637337|3.330860|0.093061|3.522668|6.296217|4.531369|3.137903|2.830527|2.512099|2.219152|2.356185|2.611367|3.772516|5.828390|26.796219|5.182074|0.144231|5.908563|6.177932|6.050712|10.191953|12.679542|36.858105| |2.777359|3.488194|0.094420|3.531728|5.954172|4.671450|3.131029|2.928572|2.538243|2.201602|2.281379|2.550899|3.574763|5.214545|31.019080|6.064541|0.191855|6.262669|5.861981|5.285133|10.225172|12.705650|12.776325|36.858105| |3.201474|4.227339|0.134476|4.536251|9.496389|5.001548|3.343725|2.730670|2.407456|2.274406|2.589692|3.004403|3.886705|5.703363|27.682637|5.179873|0.118400|7.379820|10.961947|13.060253|10.238110|5.998692|5.615324|4.391946|36.858105| |2.744310|3.408735|0.109043|3.555155|7.380104|4.035884|2.761964|2.312628|2.091507|2.013125|2.285738|2.583027|3.134360|4.586772|22.306662|3.989441|0.095683|6.055193|8.738881|7.555735|6.882487|4.316972|4.396069|3.524943|14.002577|36.858105| |2.515439|3.019674|0.097359|2.991556|5.958867|3.444939|2.337012|2.007995|1.824435|1.763885|1.971573|2.208932|2.564287|3.676121|20.240372|3.614163|0.089015|5.862059|8.236940|5.907208|5.702861|3.558974|3.672615|3.106653|7.405519|13.210310|36.858105| |2.184079|2.533967|0.080051|2.537062|5.044940|2.988398|2.068906|1.799075|1.662853|1.625321|1.813692|1.994403|2.258897|3.243762|16.916072|2.880729|0.072716|4.525625|5.813419|4.193005|4.424167|2.892774|3.032983|2.597652|5.130290|7.965150|14.190712|36.858105| |2.043013|2.347303|0.072776|2.427352|4.906858|2.899374|2.057259|1.785369|1.675649|1.652950|1.859732|2.012893|2.274283|3.306225|15.452074|2.551062|0.064665|3.835211|4.777691|3.626320|3.976013|2.694211|2.845487|2.405664|4.646352|6.882587|7.856509|13.180262|36.858105| |2.135624|2.481486|0.076161|2.655666|5.501107|3.177461|2.293842|1.963510|1.852409|1.830749|2.087897|2.250438|2.596355|3.843837|16.112587|2.636530|0.066296|3.838929|4.790328|3.839390|4.240258|2.928894|3.090260|2.549374|5.291692|7.651670|6.605164|7.717039|14.065431|36.858105| |2.468410|2.974131|0.091974|3.247799|6.903858|3.801098|2.717538|2.272422|2.107411|2.057095|2.367509|2.608184|3.152029|4.728738|19.146976|3.211950|0.078937|4.621279|6.014662|5.171733|5.442279|3.703359|3.853069|3.071036|8.436180|13.195096|7.640146|6.822036|8.074395|13.439881|36.858105| |2.590822|3.159066|0.095016|3.649855|7.990776|4.323821|3.184972|2.603785|2.424107|2.357846|2.761817|3.035381|3.881178|6.058661|20.105128|3.290857|0.080581|4.487755|5.630954|5.140172|5.765047|4.101482|4.178176|3.270803|8.311449|8.446346|5.294281|4.661598|5.262242|7.725093|14.526008|53.358707| |2.399939|2.853604|0.084067|3.343964|7.255407|4.090069|3.123453|2.574584|2.457402|2.420310|2.859104|3.046950|3.844746|6.102404|18.157514|2.873313|0.071520|3.863455|4.657253|4.110691|4.883269|3.591476|3.676559|2.941127|5.846916|5.918971|4.233699|3.952741|4.642525|6.813713|9.277204|26.019660|0.500000| |3.073450|3.972661|0.118689|4.759609|10.593129|5.460931|3.899679|3.083426|2.762210|2.613508|3.054468|3.504855|4.931339|7.752383|25.264394|4.256125|0.100703|5.543238|7.034702|7.306057|8.202842|5.736765|5.373153|4.114889|12.731936|8.175634|5.066449|4.097677|4.147290|5.190628|8.351932|17.918439|0.244754|36.858105| |17.567332|8.817848|0.211588|7.080066|10.411402|7.872811|4.297121|3.554976|2.867259|2.875866|3.219058|4.303638|3.514582|4.108472|36.462226|3.803711|0.090351|5.001673|4.858803|3.456036|4.773247|2.976485|2.443662|2.507056|3.100786|2.709215|2.477271|2.179553|2.063674|2.167311|2.484929|3.556815|0.067857|3.035580|0.500000| |17.578593|8.709527|0.173019|6.652509|8.685872|8.962612|4.568264|4.097144|3.134760|2.991335|3.152204|4.135754|3.601605|4.151398|46.301413|4.103196|0.100920|4.987214|4.536590|3.293641|4.907471|3.152581|2.529408|2.710154|2.859756|2.457846|2.250272|1.974606|1.864522|1.956275|2.245669|3.241465|0.062058|2.811340|0.301231|0.500000| |17.606126|8.814269|0.216282|5.515026|7.996617|6.369196|3.493549|3.078131|2.496329|2.415660|2.594373|3.267759|3.010008|3.633715|45.896885|4.401248|0.105801|5.892649|5.238985|3.534463|4.998259|3.036736|2.482682|2.636442|2.991101|2.620953|2.470767|2.151584|1.986212|2.041386|2.329038|3.255311|0.061334|2.788059|0.300952|0.301845|0.500000| |6.385727|7.440232|0.148169|9.446604|10.906362|26.041740|9.071300|7.796505|4.807003|4.088566|4.236190|5.875987|6.215736|6.456401|47.939048|4.588492|0.113503|4.966861|4.664083|3.755317|6.125123|4.302397|3.239898|3.494215|3.312584|2.707103|2.361572|2.053172|1.974181|2.133971|2.520170|3.824198|0.073741|3.491870|0.152137|0.207581|0.135570|0.500000| |3.543283|3.915656|0.091550|4.842494|7.309040|9.729747|8.804421|17.544657|8.790402|5.482281|4.836366|5.491878|7.127326|7.512453|28.158762|3.321433|0.088117|3.697973|3.574056|2.954607|4.765571|3.834857|3.108245|3.315791|2.776863|2.329881|2.027689|1.805295|1.777847|1.945818|2.260847|3.507608|0.070087|3.093044|0.092008|0.109662|0.083955|0.219364|0.500000| |3.956037|3.980519|0.091904|4.880452|7.283891|10.042205|8.950969|17.527685|8.850079|6.818807|5.719144|6.881078|5.629530|5.850258|26.227040|2.950200|0.076930|3.423747|3.320342|2.653672|4.085904|3.069332|2.540657|2.665281|2.509660|2.152565|1.899201|1.707403|1.684300|1.831578|2.097441|3.208265|0.064417|2.753713|0.106318|0.128494|0.091430|0.222553|0.302032|0.500000| |2.664160|2.889998|0.072146|3.610435|6.179044|6.206284|6.667802|8.837093|17.532941|8.831566|6.750458|5.625269|6.898860|8.139833|19.566660|2.516919|0.066496|2.970348|3.000086|2.489367|3.761083|3.047254|2.691591|2.671710|2.505014|2.172719|1.877928|1.713602|1.738955|1.939681|2.214343|3.517051|0.073521|2.938253|0.073226|0.078561|0.064650|0.119516|0.213916|0.173631|0.500000| |2.644028|2.736638|0.067331|3.256001|5.353744|5.686623|5.470543|8.902161|17.564391|8.807626|5.494733|4.845673|4.752554|5.533272|18.842582|2.330250|0.062378|2.758781|2.724291|2.200242|3.334506|2.634983|2.316752|2.380462|2.157354|1.893429|1.674228|1.532920|1.539085|1.685302|1.897392|2.925475|0.060341|2.423583|0.072253|0.080692|0.064558|0.117253|0.213259|0.215870|0.304064|0.500000| |2.411975|2.470851|0.062797|2.993576|5.262070|4.859798|4.795001|5.494248|8.836753|17.561958|8.824755|5.485858|4.353786|5.218801|16.025766|2.040130|0.053587|2.505098|2.549111|2.049081|2.967282|2.283014|2.059687|2.029561|2.086716|1.872985|1.650311|1.535353|1.572771|1.742262|1.934109|3.007448|0.063726|2.397804|0.068955|0.071013|0.059025|0.092758|0.123156|0.139738|0.215406|0.210823|0.500000| |2.868553|2.831610|0.070261|3.423399|5.781487|5.792043|5.602615|6.768468|8.851303|17.509346|8.852252|6.762487|4.361437|4.919903|17.996704|2.193211|0.057258|2.681876|2.691627|2.134792|3.112148|2.336390|2.053215|2.063460|2.123170|1.890734|1.676938|1.547385|1.563535|1.713575|1.912568|2.934845|0.060917|2.383539|0.082620|0.086964|0.068982|0.112159|0.139156|0.200368|0.173650|0.215438|0.303547|0.500000| |2.790923|3.004185|0.077547|3.934051|7.463230|6.152456|6.680188|5.641153|6.755800|8.837878|17.520710|8.824819|6.866354|8.037105|18.508831|2.416896|0.061706|2.978865|3.130668|2.582366|3.662558|2.791833|2.491787|2.361344|2.727231|2.409267|2.051249|1.892349|1.963304|2.237038|2.546404|4.137622|0.089313|3.325410|0.081140|0.078932|0.066980|0.107108|0.126068|0.131645|0.197152|0.138720|0.215309|0.173695|0.500000| |2.848680|2.893751|0.074640|3.649039|6.780941|5.615175|5.475440|4.852596|5.495834|8.815440|17.560388|8.896518|4.732575|5.479528|17.377021|2.204929|0.056289|2.768459|2.882817|2.303443|3.224319|2.376093|2.116376|2.043804|2.389484|2.152678|1.878099|1.746967|1.801031|2.013523|2.245470|3.513630|0.074681|2.776627|0.085612|0.081273|0.068348|0.099823|0.106735|0.128240|0.138704|0.123233|0.210825|0.215449|0.304163|0.500000| |4.392869|4.284827|0.103367|5.738475|9.543373|9.846368|8.985859|6.903443|5.718231|6.811846|8.830166|17.540233|5.612160|5.812352|23.952089|2.801263|0.070102|3.438248|3.492687|2.762747|3.968125|2.820614|2.378365|2.369840|2.722057|2.369845|2.069877|1.874723|1.874618|2.061834|2.357602|3.632597|0.073679|3.047890|0.134455|0.130278|0.098160|0.165691|0.141344|0.207027|0.131580|0.128334|0.139540|0.200204|0.173315|0.214801|0.500000| |4.097829|4.429657|0.113180|6.541542|13.377772|9.397271|8.815218|5.497247|4.829208|5.479335|8.781129|17.626443|7.032097|7.351130|23.883456|2.986192|0.073059|3.722053|3.956028|3.217731|4.457235|3.142353|2.665390|2.547593|3.329549|2.870348|2.423599|2.185864|2.219676|2.506561|2.928593|4.680322|0.095858|3.944066|0.126340|0.111418|0.093031|0.143963|0.123281|0.141181|0.125752|0.106669|0.123013|0.139228|0.213117|0.213053|0.302871|0.500000| |4.557802|5.803654|0.195894|4.275643|7.071581|4.748285|2.816133|2.473200|2.087662|1.958059|2.110725|2.511287|2.793894|3.665186|47.288976|9.023289|0.197076|26.023597|13.052018|6.441685|8.346082|4.276811|3.545138|3.776492|4.455953|3.854990|3.852575|3.079043|2.618420|2.591443|3.037326|3.995007|0.071339|3.506718|0.109024|0.107444|0.137521|0.097446|0.071169|0.067808|0.057196|0.054010|0.049299|0.053388|0.057846|0.054867|0.068892|0.073200|0.500000| |3.396540|4.523941|0.117110|5.239609|8.768426|7.115545|4.802252|4.177769|3.442891|2.905713|3.090512|3.586064|6.069038|8.995937|36.491660|6.111873|0.157236|6.071610|6.076068|5.976288|12.251323|17.729534|8.655140|8.667974|5.245793|3.859212|3.152775|2.632018|2.515878|2.782949|3.493385|5.499689|0.101364|5.681737|0.085838|0.092274|0.084646|0.140253|0.132766|0.099872|0.102146|0.085615|0.072410|0.073799|0.089856|0.074253|0.088784|0.099058|0.103870|0.500000| |2.416589|2.979990|0.082388|3.253858|5.897572|4.305641|3.114758|2.843785|2.591084|2.277411|2.408616|2.605961|3.870952|6.267523|23.178491|4.113311|0.113823|4.802504|5.073558|4.800076|7.581943|8.603089|17.717460|8.580047|4.876896|3.986093|3.306414|2.827732|2.743885|3.042297|3.738111|5.718799|0.106406|5.181462|0.063060|0.065075|0.062755|0.084812|0.086667|0.069887|0.078816|0.066314|0.059301|0.057838|0.071939|0.059857|0.065174|0.073454|0.082953|0.213762|0.500000| |2.519952|3.155720|0.091016|3.251569|5.931683|4.066701|2.795017|2.503096|2.242092|2.024237|2.167282|2.399122|3.280508|4.990839|24.860840|4.969289|0.136584|6.184890|6.763403|6.522566|9.444817|8.568554|17.708010|8.662212|6.219370|5.096889|4.341031|3.505154|3.206122|3.416537|4.263859|5.942752|0.104024|5.363950|0.065328|0.066182|0.066861|0.080317|0.074824|0.063393|0.066111|0.057599|0.052448|0.052405|0.063495|0.054852|0.061192|0.069010|0.102045|0.171272|0.292404|0.500000| |2.730545|3.384773|0.093136|3.263186|5.475278|4.236745|2.786992|2.617075|2.273063|2.002328|2.072760|2.322573|3.069560|4.373455|31.104549|6.471027|0.229218|6.910021|6.123628|5.160369|9.487768|8.583432|8.666761|17.724166|4.111446|3.409162|3.133607|2.610556|2.364691|2.447180|2.899028|4.061125|0.074196|3.647655|0.067976|0.073497|0.073653|0.088954|0.081193|0.067650|0.065484|0.059729|0.051392|0.052772|0.059004|0.052202|0.060881|0.064746|0.114860|0.171509|0.171577|0.214537|0.500000| |2.606098|3.176501|0.084007|3.266108|5.438538|4.514853|3.103285|3.018993|2.640232|2.245407|2.277658|2.506281|3.528854|5.135508|28.157012|4.877562|0.154876|5.129653|4.780364|4.159818|7.606465|8.618556|8.581625|17.730341|3.622727|2.992174|2.658666|2.281827|2.149389|2.285490|2.699849|3.961237|0.074562|3.564816|0.065504|0.072206|0.068441|0.095508|0.097340|0.075890|0.077723|0.069710|0.057745|0.058342|0.065446|0.056378|0.064789|0.068257|0.089620|0.214192|0.209095|0.171536|0.292683|0.500000| |2.613497|3.142710|0.102466|2.992048|5.784037|3.435715|2.285345|1.981761|1.783061|1.713169|1.894952|2.138472|2.465618|3.485225|21.630060|3.989111|0.098451|6.924343|9.896121|6.260991|6.017994|3.622000|3.673347|3.224061|6.566309|8.743842|17.783884|8.998764|5.580215|4.816429|5.504496|5.848566|0.098242|4.427467|0.070441|0.064620|0.072534|0.066343|0.055972|0.052469|0.050634|0.045718|0.044373|0.045550|0.054202|0.050047|0.056277|0.064513|0.126150|0.087326|0.089366|0.121373|0.093140|0.075858|0.500000| |2.036011|2.319238|0.072909|2.282309|4.454594|2.714377|1.874533|1.650954|1.529579|1.497019|1.655508|1.812409|2.018556|2.873261|15.672785|2.640652|0.067659|4.189232|5.169458|3.597052|3.924223|2.576319|2.696575|2.370603|4.099118|5.632307|9.050604|17.755235|8.775858|5.590742|4.930861|5.025555|0.089977|3.352134|0.056350|0.051298|0.056403|0.052325|0.046080|0.043842|0.043591|0.039443|0.039391|0.039830|0.047668|0.044492|0.047783|0.054737|0.080775|0.065189|0.069818|0.086018|0.067140|0.058319|0.214829|0.500000| |1.849626|2.085820|0.064025|2.148685|4.292711|2.601669|1.858812|1.632196|1.545768|1.533335|1.715022|1.835127|2.035925|2.945559|13.796871|2.236611|0.057386|3.341005|4.028438|3.015511|3.415908|2.344581|2.477803|2.132146|3.681619|4.958349|5.652354|8.799509|17.721907|9.095053|5.701316|5.718024|0.108489|3.395112|0.052081|0.047195|0.050187|0.049491|0.045061|0.042969|0.044493|0.039655|0.040785|0.040422|0.050193|0.046476|0.047756|0.055886|0.064248|0.061351|0.067032|0.076615|0.058442|0.053598|0.123865|0.215681|0.500000| |1.982856|2.268839|0.068515|2.459803|5.081468|2.998041|2.207897|1.902608|1.823313|1.818159|2.077916|2.197079|2.504844|3.726503|14.712701|2.350219|0.059656|3.356582|4.057083|3.254361|3.741972|2.646575|2.792728|2.326427|4.296592|5.494281|4.814202|5.523648|8.946493|17.753161|8.755347|9.247380|0.192748|4.541971|0.056261|0.050931|0.052442|0.055884|0.052075|0.049217|0.053274|0.046094|0.048489|0.047106|0.062382|0.056060|0.055729|0.067886|0.063519|0.071245|0.078140|0.083823|0.061596|0.058910|0.105240|0.123192|0.216691|0.500000| |2.886042|3.695969|0.105836|4.445971|9.193646|5.437914|4.001283|3.246010|2.927840|2.692619|3.077513|3.451069|5.382465|9.260320|24.891123|4.207274|0.102936|5.192107|6.171439|6.399619|8.332720|6.827750|6.717604|4.772095|8.782488|6.150067|4.254736|3.538663|3.581549|4.364251|6.273487|12.362287|0.206850|17.616862|0.077957|0.075147|0.072688|0.098268|0.092585|0.078852|0.088551|0.071424|0.068924|0.067391|0.094383|0.076318|0.082686|0.103825|0.090589|0.195685|0.192470|0.172643|0.111678|0.115595|0.106852|0.082656|0.083786|0.110154|0.500000| 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